4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one

C21H20N6OS — CID 133336930

IUPAC4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCc1nc(N2CCN(c3cnn(C)c3)C(=O)C2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C21H20N6OS/c1-14-23-20(17-10-18(29-21(17)24-14)15-6-4-3-5-7-15)26-8-9-27(19(28)13-26)16-11-22-25(2)12-16/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyLMZXZBAXXYWARQ-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.25
Rot. Bonds3

About 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 133336930) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID133336930
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC Name4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCc1nc(N2CCN(c3cnn(C)c3)C(=O)C2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C21H20N6OS/c1-14-23-20(17-10-18(29-21(17)24-14)15-6-4-3-5-7-15)26-8-9-27(19(28)13-26)16-11-22-25(2)12-16/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyLMZXZBAXXYWARQ-UHFFFAOYSA-N
XLogP3.25
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 985301
4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 4161037
cyclopropyl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133499013
2-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 17491715
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
(2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
CID 95101895
1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one
CID 133336905
(3aR,7aR)-1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-7-one
CID 97328141
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 4060720
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
1-(1-methylpyrazol-4-yl)-4-(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 133336859

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 133336930) is 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cc1nc(N2CCN(c3cnn(C)c3)C(=O)C2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is LMZXZBAXXYWARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-14-23-20(17-10-18(29-21(17)24-14)15-6-4-3-5-7-15)26-8-9-27(19(28)13-26)16-11-22-25(2)12-16/h3-7,10-12H,8-9,13H2,1-2H3.
What are the key properties of 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 404.50 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 133336930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).